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BDBM345869 US10202367, Compound 15

SMILES: CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1)c1ccccc1Cl

InChI Key: InChIKey=KUQDKDDNRFMQHN-BRQRVVEPSA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 345869   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345869
PNG
(US10202367, Compound 15)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1)c1ccccc1Cl |r,c:3|
Show InChI InChI=1S/C27H41ClN4O2/c1-19-15-20(2)17-32(16-19)12-6-11-29-26(33)22-9-13-31(14-10-22)18-25-21(3)34-27(30-25)23-7-4-5-8-24(23)28/h4-5,7-8,19-22,25H,6,9-18H2,1-3H3,(H,29,33)/t19-,20+,21?,25?
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 86n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Kansas

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair